SCHEMBL26081092

SCHEMBL26081092

CC(C)(C)OC(=O)N1CCC(O)(Cc2cccc(C(F)(F)F)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.49
IDH2 P48735 1/20 0.49
TACR1 P25103 1/20 0.43
GPR4 P46093 2/20 0.41
RORC P51449 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HDAC4 P56524 1/20 0.39
SYK P43405 1/20 0.39
TGFBR1 P36897 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
PDK2 Q15119 1/20 0.39
CYP11B2 P19099 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KDM1A O60341 1/20 0.38
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.38
PDE4B Q07343 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26081091 0.89 IDH1 (0.51) IDH1IDH2TACR1RORCHRH3
SCHEMBL16049825 0.87 PKLR (0.48) TACR1GPR4OPRD1OPRK1CYP11B2
SCHEMBL16049607 0.85 GPR4 (0.49) TACR1GPR4OPRD1OPRK1CYP11B2
SCHEMBL29686152 0.85 GPR4 (0.49) TACR1GPR4OPRD1OPRK1CYP11B2
SCHEMBL1054762 0.84 POLB (0.43) GPR4OPRD1OPRK1CYP11B2KDM1A
SCHEMBL30328833 0.82 IDH1 (0.47) IDH1IDH2TACR1RORCCYP11B2
SCHEMBL1760964 0.81 IDH1 (0.51) IDH1IDH2TACR1RORCHRH3
SCHEMBL30585014 0.80 CYP46A1 (0.54) OPRD1OPRK1
SCHEMBL1088021 0.80 CYP46A1 (0.54) OPRD1OPRK1
SCHEMBL7511633 0.79 BACE1 (0.45) GPR4OPRD1OPRK1CYP11B2PDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 IDH1 887/4885IDH2 631/4885TACR1 1837/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.